We tested the hypothesis that single nucleotide polymorphisms (SNPs) within genes of the NF-κB pathway are associated with altered clinical outcome of septic shock patients. We genotyped 59 SNPs in the NF-κB pathway in a discovery cohort of septic…
Papers in Glass
Glass papers in Materials Science, A
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We present the development of a three-dimensional (3-D) combinatorial cell culture array device featured with integrated three-input, eight-output combinatorial mixer and cell culture chambers. The device is designed for cell-based screening of…
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OBJECTIVE: The purpose of this study was to evaluate the clinical performance of preformed beta-quartz glass-ceramic insert restorations. METHODS AND MATERIALS: Nine Class I and 30 Class II beta-quartz glass-ceramic insert restorations were placed…
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Al-27 MAS NMR has been used to study a sol-gel prepared alumina annealed at various temperatures. Two-field simulation of the sample heated to 1200 degrees C confirmed the presence of corundum, as suggested by XRD, and also the presence of…
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The impact resistance of chemically and thermally hardened glass lenses of 2.2- and 3.0-mm thicknesses was evaluated using a ballistic test. Each lens was edged and mounted into a spectacle frame, which was placed on a standard headform. A 6.5-mm…
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Background: We analyzed simulated data from the 14th QTL-MAS workshop using a Bayesian approach implemented in the program iBay. The data contained individuals genotypes for 10,031 SNPs and phenotyped for a quantitative and a binary trait. Results:…
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For a better understanding of the cytological principles involved in the formation of reactive membranes on lens implants in the human eye, two kinds of modern implants were placed into the peritoneal space of mice. Continuous membranes mainly…
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A description of phase modulated Lee-Goldburg experiments PMLG-n, with 2n pulses per rf cycle, on coupled proton systems under magic angle spinning is presented using bimodal Floquet theory. Level crossing conditions between Floquet states are…
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Ab initio STO-3G molecular orbital theory has been used to calculate energy-optimized Si-O bond lengths and angles for molecular orthosilicic and pyrosilicic acids. The resulting bond length for orthosilicic acid and the nonbridging bonds for…
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The Ln(2)O(3) rare-earth oxides, sesquioxides, in the lanthanide series are a group of compounds of particular importance, which are the most widespread lanthanide compounds generally used as a catalyst for the synthesis of many other 4f-materials.…
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The process of H+ diffusion in SiO2 is studied using first principles density-functional theory. This is done by examining stable bonding sites, migration pathways, and barrier heights of H+ in alpha-quartz. The H+ is found to bind to the bridging…
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We present a first-principles study of the electron-phonon interaction and the prediction of the superconducting critical temperature in molecular metallic hydrogen. Our study is able to single out the features which drive the system towards…
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Fused silica light-scattering properties are important for many industrial and laboratory applications. In this work, ab initio molecular dynamics employing periodic boundary conditions are used to simulate its structure and Raman scattering. Fused…
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We propose and implement an alternative approach to the original CarParrinello method where the density matrix elements (instead of the molecular orbitals) are propagated together with the nuclear degrees of freedom. Our new approach has the…
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Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in WaterApplying the ab initio mol. dynamics method, the solvation and dynamics of an excess proton and a proton hole in liq. water was studied. For the H3O+ ion a dynamic solvation complex was found which continuously fluctuates between a (H5O2)+ and…
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The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics simulations of…
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Bioglass 45S5, the prototype of bioactive melt-quenched silicate glasses, was modeled by means of Car-Parrinello molecular dynamics (CPMD) simulations. Although long-range structural properties cannot be modeled by using this ab initio approach, the…
Papers in associated sub-disciplines
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